N2-[1-(4-dodec-1-ynylthiophen-2-yl)-1-methoxy-3-oxidanyl-propyl]-N1-methyl-benzene-1,2-dicarboxamide

Systemtic Name: N2-[1-(4-dodec-1-ynylthiophen-2-yl)-1-methoxy-3-oxidanyl-propyl]-N1-methyl-benzene-1,2-dicarboxamide Openeye Name: N2-[1-(4-dodec-1-ynyl-2-thienyl)-3-hydroxy-1-methoxy-propyl]-N1-methyl-phthalamide CAS Name: N2-[1-(4-dodec-1-ynyl-2-thiophenyl)-3-hydroxy-1-methoxypropyl]-N1-methylbenzene-1,2-dicarboxamide IUPAC Name: 2-N-[1-(4-dodec-1-ynylthiophen-2-yl)-3-hydroxy-1-methoxypropyl]-1-N-methylbenzene-1,2-dicarboxamide Traditional Name: N'-[1-(4-dodec-1-ynyl-2-thienyl)-3-hydroxy-1-methoxy-propyl]-N-methyl-phthalamide Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=C1)C(CCO)(NC(=O)C2=CC=CC=C2C(=O)NC)OC

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)C(CCO)(NC(=O)C2=CC=CC=C2C(=O)NC)OC

InChI

InChI=1S/C29H40N2O4S/c1-4-5-6-7-8-9-10-11-12-13-16-23-21-26(36-22-23)29(35-3,19-20-32)31-28(34)25-18-15-14-17-24(25)27(33)30-2/h14-15,17-18,21-22,32H,4-12,19-20H2,1-3H3,(H,30,33)(H,31,34)